Info
| ID | 5411 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 3 |
| SMILES | C(#Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C43H28IrN6/(1-64)(2-33)(3-61)(4-36)(5-51)(6-45)(7-35)(8-39)(9-52)(10-50)(11-40)(12-53)(13-63)(14-42)(15-41)(16-54)(17-37)(18-44)(19-49)(20-43)(21-46)(22-55)(23-47)(24-62)(25-34)(26-48)(27-38)(28-73)(29-36)(29-58)(30-39)(30-59)(31-32)(31-71)(32-60)(33-35)(33-36)(34-37)(34-65)(35-51)(37-45)(38-49)(38-66)(39-48)(40-41)(40-60)(41-47)(42-46)(42-56)(43-53)(43-57)(44-48)(44-52)(45-61)(46-64)(47-54)(49-50)(50-62)(51-58)(52-59)(53-63)(54-55)(55-60)(56-67)(56-69)(57-68)(57-70)(58-65)(59-66)(61-74)(62-75)(63-77)(64-72)(65-74)(66-75)(67-68)(67-73)(68-76)(69-70)(69-72)(70-77)(71-73)(71-76)(74-78)(75-78)(76-78)(77-78)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SGC-7901 | 4.4 | — | 10.1007/s00775-022-01943-6 | 2022 |
| HepG2 | 9.9 | — | 10.1007/s00775-022-01943-6 | 2022 |
| HeLa | 52 | — | 10.1007/s00775-022-01943-6 | 2022 |
| A549 | 62 | — | 10.1007/s00775-022-01943-6 | 2022 |
| NIH-3T3 | — | — | 10.1007/s00775-022-01943-6 | 2022 |
Source-assisted 2D generator
Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.
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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.